2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C13H20F3N5O — CID 120813555

IUPAC2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCn1cc(CC(=O)NCC(N2CCNCC2)C(F)(F)F)cn1
InChIInChI=1S/C13H20F3N5O/c1-20-9-10(7-19-20)6-12(22)18-8-11(13(14,15)16)21-4-2-17-3-5-21/h7,9,11,17H,2-6,8H2,1H3,(H,18,22)
InChIKeyCGVHKYLDUJRUQE-UHFFFAOYSA-N
MW319.33 g/mol
LogP-0.09
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120813555) has the molecular formula C13H20F3N5O and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120813555
Molecular FormulaC13H20F3N5O
Molecular Weight319.33 g/mol
Exact Mass319.16
IUPAC Name2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCn1cc(CC(=O)NCC(N2CCNCC2)C(F)(F)F)cn1
InChIInChI=1S/C13H20F3N5O/c1-20-9-10(7-19-20)6-12(22)18-8-11(13(14,15)16)21-4-2-17-3-5-21/h7,9,11,17H,2-6,8H2,1H3,(H,18,22)
InChIKeyCGVHKYLDUJRUQE-UHFFFAOYSA-N
XLogP-0.09
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120813555) is 2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is Cn1cc(CC(=O)NCC(N2CCNCC2)C(F)(F)F)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is CGVHKYLDUJRUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5O/c1-20-9-10(7-19-20)6-12(22)18-8-11(13(14,15)16)21-4-2-17-3-5-21/h7,9,11,17H,2-6,8H2,1H3,(H,18,22).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 319.33 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120813555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).